ChemSpider 2D Image | (4-Acetyl-3-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-propylphenoxy)acetic acid | C29H38O8

(4-Acetyl-3-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-propylphenoxy)acetic acid

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID14734362

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4-Acetyl-3-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-propylphenoxy)acetic acid [ACD/IUPAC Name]
(4-Acetyl-3-{[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy}-2-propylphenoxy)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-acetyl-3-[[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy]-2-propylphenoxy]- [ACD/Index Name]
Acide (4-acétyl-3-{[5-(4-acétyl-3-hydroxy-2-propylphénoxy)pentyl]oxy}-2-propylphénoxy)acétique [French] [ACD/IUPAC Name]
{4-Acetyl-3-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-pentyloxy]-2-propyl-phenoxy}-acetic acid
ACETIC ACID,[4-ACETYL-3-[[5-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PENTYL]OXY]-2-PROPYLPHENOXY]-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 712.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 229.5±26.4 °C
Index of Refraction: 1.549
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 57.98
ACD/KOC (pH 5.5): 128.30
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 7.92
Polar Surface Area: 119 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 443.1±3.0 cm3

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